Releases
2.1.0
Added support for fractional multipliers e.g. hemihydrochloride
Added support for abbreviated common salts e.g. HCl
Added support for sandwich compounds e.g. ferrocene
Improved recognition of names missing the last 'e' (common in German)
Support for E/Z directly before double bond indication e.g. 2Z-ylidene, 2Z-ene
Improved support for functional class ethers e.g. "glycerol triglycidyl ether"
Added general support for names involving an ester formed from an alcohol and an ate group
Grignards reagents and certain compounds (e.g. uranium hexafluoride), are now treated as covalent rather than ionic
Added experimental support for outputting extended SMILES. Polymers and attachment points are annotated explicitly
Polymers when output as SMILES now have atom classes to indicate which end of the repeat unit is which
Support * as a superscript indicator e.g. 6 to mean superscript 6
Improved recognition of racemic stereochemistry terms
Added general support for names like "beta-alanine N,N-diacetic acid"
Allowed "one" and "ol" suffixes to be used in more cases where another suffix is also present
"ic acid halide" is not interpreted the same as "ic halide"
Fixed some cases where ambiguous operations were not considered ambiguous e.g. monosubstitututed phenyl
Improvements/bug fixes to heuristics for detecting when spaces are omitted from ether/ester names
Improved support for stereochemistry in older CAS index names
Many precision improvements e.g. cyclotriphosphazene, thiazoline, TBDMS/TBDPS protecting groups, S-substituted-methionine
Various minor bug fixes e.g. names containing "SULPH" not recognized
Minor vocabulary improvements
Internal XML Changes:
Synonymns of the same concept are now or-ed rather being seperate entities e.g. <token>tertiary|tert-|t-</token>
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